4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

C14H14F2N2O3 — CID 86929112

IUPAC4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C14H14F2N2O3/c1-9-7-11(17-21-9)8-18(2)13(19)10-3-5-12(6-4-10)20-14(15)16/h3-7,14H,8H2,1-2H3
InChIKeySLMAXYACVJEQHV-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.86
Rot. Bonds5

About 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide

4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 86929112) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID86929112
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(OC(F)F)cc2)no1
InChIInChI=1S/C14H14F2N2O3/c1-9-7-11(17-21-9)8-18(2)13(19)10-3-5-12(6-4-10)20-14(15)16/h3-7,14H,8H2,1-2H3
InChIKeySLMAXYACVJEQHV-UHFFFAOYSA-N
XLogP2.86
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 110901978
4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 113338807
2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 61292900
3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 87003197
4-(difluoromethoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454317
1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-carboxamide
CID 47055119
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55518274
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 87016535
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 87016497
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
4-(difluoromethoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 115673441

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 86929112) is 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CN(C)C(=O)c2ccc(OC(F)F)cc2)no1.
What is the InChIKey of 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is SLMAXYACVJEQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-9-7-11(17-21-9)8-18(2)13(19)10-3-5-12(6-4-10)20-14(15)16/h3-7,14H,8H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 296.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 86929112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).